CID 16770959

330985-26-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)C(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C10H17NO3/c1-7(2)9(12)11-5-3-8(4-6-11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)

InChIKey

BNSWWHNOGGYQAN-UHFFFAOYSA-N

Compound name

1-(2-methylpropanoyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 199.12085 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.12813	145.3
[M+Na]+	222.11007	149.6
[M-H]-	198.11357	145.3
[M+NH4]+	217.15467	162.2
[M+K]+	238.08401	148.9
[M+H-H2O]+	182.11811	139.2
[M+HCOO]-	244.11905	160.5
[M+CH3COO]-	258.13470	183.0
[M+Na-2H]-	220.09552	145.3
[M]+	199.12030	141.3
[M]-	199.12140	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe